0 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.43 C[C@@H](CC1=NC=CC=N1)C(=O)O W18320 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.43 C[C@H](OC1=NC=CC=C1)C(=O)O W18936 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O F14501 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,0,0,0,0,0|0,0,0]=0 7 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.91 O=C(O)C#CC1=CC=NC=C1 AC1699 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.91 O=C(O)C#CC1=CN=CC=C1 O10892 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.91 O=C(O)C#CC1=NC=CC=C1 W11288 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,0,0,0,0,0|0,0,1]=2 29 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,0,0,0,0,0|1,0,1]=3 30 B13R1.133 CC1=CC=C(O[C@@H](C)C(=O)O)C=C1 AR3824 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.133 CC1=NC=C(C[C@H](N)C(=O)O)C=C1 Y10839 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O D79738 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.133 C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 71965 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.133 C[C@H](OC1=CC=C(Cl)C=C1)C(=O)O A50595 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O D95596 [0,1,0,0,0,0|1,0,2]=4 36 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 A12610 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A11480 [0,1,0,0,0,0|1,0,1]=3 38 B13R1.133 N[C@@H](CC1=CN=C(Cl)C=C1)C(=O)O Y12874 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.133 N[C@@H](CC1=NC=C(Br)C=C1)C(=O)O Y10844 [0,1,0,0,0,0|1,0,0]=2 40 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 AC1147 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 96041 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 49162 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 D90895 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 75430 [0,1,0,0,0,0|1,0,1]=3 45 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 C72746 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 D97565 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.135 COC(=O)[C@@H](N)CC1=CC=NC=C1 Y13030 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 74539 [0,1,0,0,0,0|1,0,0]=2 50 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 Y12123 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl F10924 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CN=C1 Y12927 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 F16900 [0,1,0,0,0,0|0,0,0]=1 54 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y10907 [0,1,0,0,0,0|0,0,0]=1 55 B13R1.148 N[C@@H](CC1=CC(Cl)=CN=C1)C(=O)O Y12928 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Y10908 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O A50209 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.148 O=C(O)C(=O)CC1=CC(O)=CC=C1 C15825 [0,1,0,0,0,0|1,0,1]=3 59 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y13384 [0,1,0,0,0,0|0,0,0]=1 60 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=N1 Y10840 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 76517 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O N14210 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O Y11804 [0,1,0,0,0,0|0,0,0]=1 64 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O Y12459 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O I10720 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y10472 [0,1,0,0,0,0|0,0,0]=1 67 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y11730 [0,1,0,0,0,0|0,0,0]=1 68 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32246 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 87873 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O F10695 [0,1,0,0,0,0|0,0,0]=1 71 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 38076 [0,0,0,1,0,0|3,0,0]=4 72 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [0,0,0,1,0,0|0,0,2]=3 73 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O FD7388 [0,0,0,1,0,0|1,0,0]=2 74 B13R2.369 O=C1NC2=C(C=CC=C2)C[C@@H]1O W17609 [0,0,0,1,0,0|2,0,0]=3 75 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 57054 [0,0,0,1,0,0|1,0,2]=4 76 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl W10453 [0,0,0,1,0,0|2,0,1]=4 77 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [0,0,0,1,0,0|2,0,1]=4 78 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 70707 [0,0,0,1,0,0|2,0,0]=3 79 B13R2.423 O=C(Cl)[C@H]1C[C@@H]1C2=NC=CC=C2 AT21498 [0,0,0,1,0,0|3,0,0]=4 80 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 F52568 [0,0,0,1,0,0|2,0,0]=3 81 B13R2.423 O=C(O)C1CC1C2=CN=CC=C2 F52567 [0,0,0,1,0,0|2,0,0]=3 82 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 Y10094 [0,0,0,1,0,0|2,0,0]=3 83 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [0,0,0,1,0,0|1,0,0]=2 84 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [0,0,0,1,0,0|1,0,0]=2 85 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 84939 [0,0,0,1,0,0|2,0,0]=3 86 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 C93523 [0,0,0,1,0,0|2,0,0]=3 87 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT10071 [0,0,0,1,0,0|2,0,0]=3 88 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT22878 [0,0,0,1,0,0|2,0,0]=3 89 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 91719 [0,0,0,1,0,0|2,0,0]=3 90 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 AT22087 [0,0,0,1,0,0|2,0,0]=3 91 B13R2.435 CC(=O)C1CC2=C(C=CC=C2)C1 75402 [0,0,0,1,0,0|2,0,0]=3 92 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 F53644 [0,0,0,1,0,0|1,0,2]=4 93 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 AC1335 [0,0,0,1,0,0|1,0,1]=3 94 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 25340 [0,0,0,1,0,0|1,0,2]=4 95 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 C16851 [0,0,0,1,0,0|2,0,1]=4 96 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 P17966 [0,0,0,1,0,0|1,0,0]=2 97 B13R2.3080 CC1(C)[C@@H](N)[C@@H]1C2=CC=CC=C2 C13591 [0,0,0,1,0,0|2,0,1]=4 98 B11R1.35 C[C@H](SC1=CC=CS1)C(=O)O W16393 [0,0,0,0,1,0|3,0,0]=4 99 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O F52519 [0,0,0,0,1,0|1,0,0]=2 100 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O D85261 [0,0,0,0,1,0|2,0,0]=3 101 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O F53130 [0,0,0,0,1,0|2,0,0]=3 102 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,0,0,0,1,0|1,0,0]=2 103 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,0,0,0,1,0|2,0,0]=3 104 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,0,0,0,1,0|2,0,1]=4 105 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,0,0,0,1,0|2,0,1]=4 106 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,0,0,0,1,0|2,0,1]=4 107 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [0,0,0,0,1,0|3,0,0]=4 108 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 79624 [0,0,0,0,1,0|2,0,0]=3 109 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,0,0,0,1,0|1,0,1]=3 110 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AC7675 [0,0,0,0,1,0|1,0,0]=2 111 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,0,0,0,0,1|2,0,1]=4 112 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53132 [0,0,0,0,0,1|3,0,0]=4 113 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [0,0,0,0,0,1|0,0,0]=1 114 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [0,0,0,0,0,1|0,0,0]=1 115 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O 60095 [0,0,0,0,0,1|1,0,0]=2 116 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 72184 [0,0,0,0,0,1|1,0,0]=2 117 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [2,0,0,0,0,0|1,0,1]=4 118 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [2,0,0,0,0,0|1,0,1]=4 121 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [2,0,0,0,0,0|0,1,1]=4 122 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [1,1,0,0,0,0|0,0,1]=3 123 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [1,1,0,0,0,0|0,0,1]=3 124 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11490 [1,1,0,0,0,0|0,0,1]=3 125 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78431 [1,1,0,0,0,0|0,0,1]=3 126 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 32524 [1,1,0,0,0,0|0,0,1]=3 127 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N10806 [1,1,0,0,0,0|0,0,1]=3 128 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N11400 [1,1,0,0,0,0|0,0,1]=3 129 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11305 [1,1,0,0,0,0|0,0,1]=3 130 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11306 [1,1,0,0,0,0|0,0,1]=3 131 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 Y11195 [1,1,0,0,0,0|0,0,1]=3 132 B12R1.49 N\C(CC1=CC=C(O)C=C1)=N\O W10702 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78158 [1,1,0,0,0,0|0,0,1]=3 134 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11151 [1,1,0,0,0,0|0,0,1]=3 135 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11309 [1,1,0,0,0,0|0,0,1]=3 136 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11126 [1,1,0,0,0,0|0,0,1]=3 137 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11310 [1,1,0,0,0,0|0,0,1]=3 138 B12R1.50 N\C(CC1=CC=CC(Br)=C1)=N\O 72183 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [1,1,0,0,0,0|0,0,1]=3 140 B12R1.118 N#C[C@H](CO)CC1=CC=CC=C1 AC5751 [1,1,0,0,0,0|0,0,2]=4 141 B12R1.118 OCC(CO)CC1=CC=CC=C1 20620 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.371 CC1=C(C\C(N)=N/O)C=CC=C1 W10713 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N10850 [1,1,0,0,0,0|0,0,1]=3 144 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11125 [1,1,0,0,0,0|0,0,1]=3 145 B12R1.371 N\C(CC1=C(Br)C=CC=C1)=N\O W10717 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [1,1,0,0,0,0|1,0,0]=3 149 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [1,1,0,0,0,0|1,0,0]=3 150 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 75631 [1,1,0,0,0,0|1,0,0]=3 152 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 25118 [1,1,0,0,0,0|0,0,2]=4 153 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 89770 [1,1,0,0,0,0|0,0,2]=4 154 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [1,1,0,0,0,0|0,0,0]=2 155 B12R1.21 O=C(O)CCC1=CN=C(Br)C=C1 F30869 [1,1,0,0,0,0|1,0,0]=3 156 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [1,1,0,0,0,0|1,0,0]=3 159 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [1,1,0,0,0,0|1,0,0]=3 160 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [1,1,0,0,0,0|1,0,0]=3 161 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [1,1,0,0,0,0|1,0,0]=3 162 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [1,1,0,0,0,0|0,0,0]=2 163 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [1,1,0,0,0,0|0,0,0]=2 164 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [1,1,0,0,0,0|1,0,0]=3 165 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 Y11722 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11797 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11798 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [1,1,0,0,0,0|0,0,2]=4 170 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [1,1,0,0,0,0|1,0,0]=3 172 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.125 CC1=C(CCC(=O)O)C=NC=C1 72576 [1,1,0,0,0,0|1,0,0]=3 174 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [1,1,0,0,0,0|1,0,0]=3 176 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 72580 [1,1,0,0,0,0|1,0,0]=3 178 B12R1.226 CC1=CC=CC(CCC(=O)O)=N1 71538 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.226 CC1=NC=CC(CCC(=O)O)=C1 72670 [1,1,0,0,0,0|1,0,0]=3 180 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [1,1,0,0,0,0|0,0,2]=4 181 B12R1.226 O=C(O)C#CC1=CC=CC(F)=C1 W19721 [1,1,0,0,0,0|0,0,2]=4 182 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 73058 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [1,1,0,0,0,0|0,0,2]=4 184 B12R1.104 N[C@@H](CC1=CC=C(Br)S1)C(=O)O 78264 [0,1,0,0,1,0|1,0,0]=3 185 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 D80703 [0,1,0,0,1,0|1,0,0]=3 186 B12R1.298 N#C[C@@H](CC1=CC=CS1)C(=O)O AC1588 [0,1,0,0,1,0|1,0,1]=4 187 B12R1.1373 C[C@](N)(CC1=CNC=N1)C(=O)O FD21718 [0,1,0,0,1,0|2,0,0]=4 188 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 D80223 [0,1,0,0,1,0|0,0,0]=2 189 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y13382 [0,1,0,0,1,0|0,0,0]=2 190 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [0,1,0,0,1,0|1,0,0]=3 191 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC1142 [0,1,0,0,1,0|1,0,0]=3 192 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC3350 [0,1,0,0,1,0|1,0,0]=3 193 B12R1.20 C[C@@H](C(=O)O)C1=CN=C(Cl)C=C1 69943 [0,1,0,0,1,0|2,0,0]=4 194 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N12474 [0,1,0,0,1,0|0,0,0]=2 195 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y10441 [0,1,0,0,1,0|0,0,0]=2 196 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y11071 [0,1,0,0,1,0|0,0,0]=2 197 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 61234 [0,1,0,0,1,0|0,0,0]=2 198 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 AB10481 [0,1,0,0,1,0|1,0,1]=4 199 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 57454 [0,1,0,0,1,0|1,0,1]=4 200 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 AB11475 [0,1,0,0,1,0|1,0,1]=4 201 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 F16678 [0,1,0,0,1,0|1,0,1]=4 202 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 25102 [0,1,0,0,1,0|1,0,0]=3 203 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 C76190 [0,1,0,0,1,0|1,0,1]=4 204 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 D83457 [0,1,0,0,1,0|0,0,0]=2 205 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 Y11801 [0,1,0,0,1,0|0,0,0]=2 206 B12R1.124 C[C@@H](C(=O)O)N1C=CC=CC1=O W16391 [0,1,0,0,1,0|2,0,0]=4 207 B12R1.124 N[C@@H](C(=O)O)C1=C(Br)C=CC=C1 AT21607 [0,1,0,0,1,0|0,0,0]=2 208 B12R1.124 N[C@@H](C(=O)O)C1=C(Br)C=CC=C1 Y10528 [0,1,0,0,1,0|0,0,0]=2 209 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 Y11747 [0,1,0,0,1,0|0,0,0]=2 210 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 Y11901 [0,1,0,0,1,0|0,0,0]=2 211 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 Y13377 [0,1,0,0,1,0|0,0,0]=2 212 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 Y13378 [0,1,0,0,1,0|0,0,0]=2 213 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 Y10677 [0,1,0,0,1,0|0,0,0]=2 214 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 AB11009 [0,1,0,0,1,0|1,0,1]=4 215 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 AB7290 [0,1,0,0,1,0|1,0,1]=4 216 B12R1.124 O=C(O)[C@H](Br)C1=C(Br)C=CC=C1 P20733 [0,1,0,0,1,0|1,0,0]=3 217 B12R1.124 O=C(O)[C@H](F)C1=C(Cl)C=CC=C1 98561 [0,1,0,0,1,0|1,0,0]=3 218 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 D85965 [0,1,0,0,1,0|1,0,0]=3 219 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 F20906 [0,1,0,0,1,0|1,0,0]=3 220 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N15140 [0,1,0,0,1,0|0,0,0]=2 221 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 Y14776 [0,1,0,0,1,0|0,0,0]=2 222 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15616 [0,1,0,0,1,0|1,0,1]=4 223 B12R1.225 NC(=O)[C@H](N)C1=CC=CC(F)=C1 D80946 [0,1,0,0,1,0|1,0,0]=3 224 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 Y11300 [0,1,0,0,1,0|0,0,0]=2 225 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y10943 [0,1,0,0,1,0|0,0,0]=2 226 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y11229 [0,1,0,0,1,0|0,0,0]=2 227 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 57493 [0,1,0,0,1,0|0,0,0]=2 228 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 N10486 [0,1,0,0,1,0|0,0,0]=2 229 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 Y10477 [0,1,0,0,1,0|0,0,0]=2 230 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 52230 [0,1,0,0,1,0|0,0,0]=2 231 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23986 [0,1,0,0,1,0|0,0,0]=2 232 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23988 [0,1,0,0,1,0|0,0,0]=2 233 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 Y11806 [0,1,0,0,1,0|0,0,0]=2 234 B12R1.225 O=C(O)C(=O)C1=CC=CC(Cl)=C1 AB11010 [0,1,0,0,1,0|1,0,1]=4 235 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(Cl)=C1 98548 [0,1,0,0,1,0|1,0,0]=3 236 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Br)=C1 W18887 [0,1,0,0,1,0|1,0,0]=3 237 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SC4021 [0,1,0,0,1,0|1,0,0]=3 238 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 C75007 [0,1,0,0,1,0|1,0,0]=3 239 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 67278 [0,1,0,0,1,0|0,0,0]=2 240 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 75104 [0,1,0,0,1,0|0,0,0]=2 241 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 75105 [0,1,0,0,1,0|0,0,0]=2 242 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 35104 [0,1,0,0,1,0|1,0,0]=3 243 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86305 [0,1,0,0,1,0|0,0,0]=2 244 B12R1.478 N#C[C@@H](C(=O)O)C1=CC=CC=C1 AC8944 [0,1,0,0,1,0|0,0,1]=3 245 B12R1.478 NC(=O)[C@H](CO)C1=CC=CC=C1 F16398 [0,1,0,0,1,0|2,0,0]=4 246 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 F15276 [0,1,0,0,1,0|0,0,0]=2 247 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 11249 [0,1,0,0,1,0|1,0,1]=4 248 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 77784 [0,1,0,0,0,1|0,0,0]=2 249 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 FD10080 [0,1,0,0,0,1|0,0,0]=2 250 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O 51920 [0,1,0,0,0,1|0,0,0]=2 251 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O C16095 [0,1,0,0,0,1|0,0,0]=2 252 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 C75463 [0,1,0,0,0,1|2,0,0]=4 253 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 FD10040 [0,1,0,0,0,1|0,0,0]=2 254 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 F15997 [0,1,0,0,0,1|0,0,0]=2 255 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 AC1733 [0,1,0,0,0,1|0,0,0]=2 256 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 F12119 [0,1,0,0,0,1|0,0,0]=2 257 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 77807 [0,1,0,0,0,1|0,0,0]=2 258 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 77779 [0,1,0,0,0,1|0,0,0]=2 259 B14R1.161 N[C@@H](CCC1=C(O)C=CC=C1)C(=O)O W18942 [0,1,0,0,0,1|0,0,0]=2 260 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O D83280 [0,1,0,0,0,1|0,0,0]=2 261 B14R1.756 COC(=O)[C@@H](N)\C=C\C1=CC=CC=C1 59851 [0,1,0,0,0,1|0,0,1]=3 262 B14R1.756 COC(=O)[C@H](C)OCC1=CC=CC=C1 C12989 [0,1,0,0,0,1|1,0,0]=3 263 B14R1.3 C#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50672 [0,2,0,0,0,0|0,0,0]=2 264 B14R1.3 C=CC1=CC=C(C[C@H](N)C(=O)O)C=C1 N10760 [0,2,0,0,0,0|0,0,0]=2 265 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 AC2351 [0,2,0,0,0,0|0,0,0]=2 266 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C)C=C1 Y11931 [0,2,0,0,0,0|0,0,0]=2 267 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 N10875 [0,2,0,0,0,0|0,0,0]=2 268 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(I)C=C1 Y14801 [0,2,0,0,0,0|0,0,0]=2 269 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(N)C=C1 Y11386 [0,2,0,0,0,0|0,0,0]=2 270 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Br)C=C1 Y11392 [0,2,0,0,0,0|1,0,0]=3 271 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C)C=C1 N10729 [0,2,0,0,0,0|1,0,0]=3 272 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C)C=C1 Y11473 [0,2,0,0,0,0|1,0,0]=3 273 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Cl)C=C1 N10730 [0,2,0,0,0,0|1,0,0]=3 274 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Cl)C=C1 Y12124 [0,2,0,0,0,0|1,0,0]=3 275 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(Br)C=C1 D93870 [0,2,0,0,0,0|1,0,0]=3 276 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(Br)C=C1 D93892 [0,2,0,0,0,0|1,0,0]=3 277 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(F)C=C1 72484 [0,2,0,0,0,0|1,0,0]=3 278 B14R1.536 CO[C@@H](CC1=CC=C(N)C=C1)C(=O)O D81366 [0,2,0,0,0,0|1,0,0]=3 279 B14R1.536 N#C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 59361 [0,2,0,0,0,0|0,0,1]=3 280 B14R1.536 NC[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 31813 [0,2,0,0,0,0|0,0,0]=2 281 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 Y12177 [0,2,0,0,0,0|0,0,0]=2 282 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y11726 [0,2,0,0,0,0|0,0,0]=2 283 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y12612 [0,2,0,0,0,0|0,0,0]=2 284 B14R1.686 CC1=C(F)C=CC(C[C@H](N)C(=O)O)=C1 Y12614 [0,2,0,0,0,0|0,0,0]=2 285 B14R1.686 N[C@@H](CC1=CC(Cl)=C(F)C=C1)C(=O)O Y12619 [0,2,0,0,0,0|0,0,0]=2 286 B14R1.686 N[C@@H](CC1=CC(F)=C(Br)C=C1)C(=O)O Y12216 [0,2,0,0,0,0|0,0,0]=2 287 B14R1.686 N[C@@H](CC1=CC(F)=C(Cl)C=C1)C(=O)O Y12611 [0,2,0,0,0,0|0,0,0]=2 288 B14R1.686 N[C@@H](CC1=CC(F)=C(Cl)C=C1)C(=O)O Y12613 [0,2,0,0,0,0|0,0,0]=2 289 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O 60506 [0,2,0,0,0,0|0,0,0]=2 290 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61380 [0,2,0,0,0,0|0,0,0]=2 291 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61384 [0,2,0,0,0,0|0,0,0]=2 292 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61386 [0,2,0,0,0,0|0,0,0]=2 293 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O Y11239 [0,2,0,0,0,0|0,0,0]=2 294 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O F21483 [0,2,0,0,0,0|0,0,0]=2 295 B14R1.686 O=C([O-])[C@@H](O)CC1=CC(O)=C(O)C=C1 44339 [0,2,0,0,0,0|1,0,1]=4 296 B14R1.6049 CC1=CC(Br)=C(C[C@H](N)C(=O)O)C=C1 D94000 [0,2,0,0,0,0|0,0,0]=2 297 B14R1.6049 CC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1 Y11725 [0,2,0,0,0,0|0,0,0]=2 298 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O 90584 [0,2,0,0,0,0|0,0,0]=2 299 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O 90587 [0,2,0,0,0,0|0,0,0]=2 300 B14R1.6049 N[C@@H](CC1=CC=C(F)N=C1F)C(=O)O Y12929 [0,2,0,0,0,0|1,0,0]=3 301 B14R1.7626 CC(C)(OC1=CC=C(Br)C=C1)C(=O)O F30194 [0,2,0,0,0,0|2,0,0]=4 302 B14R1.7626 CC(C)(OC1=CC=C(F)C=C1)C(=O)O AB11472 [0,2,0,0,0,0|2,0,0]=4 303 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 Y12270 [0,2,0,0,0,0|0,0,0]=2 304 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 D97639 [0,2,0,0,0,0|1,0,0]=3 305 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 25977 [0,2,0,0,0,0|1,0,0]=3 306 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 39076 [0,2,0,0,0,0|1,0,0]=3 307 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 F16895 [0,2,0,0,0,0|0,0,0]=2 308 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 Y11618 [0,2,0,0,0,0|0,0,0]=2 309 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(F)=C1 Y14045 [0,2,0,0,0,0|0,0,0]=2 310 B14R1.135 COC(=O)[C@@H](O)CC1=CC(O)=CC=C1 32553 [0,2,0,0,0,0|1,0,0]=3 311 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC F10718 [0,2,0,0,0,0|0,0,0]=2 312 B14R1.1107 COC(=O)C(C)(C)OC1=CC=CC=C1 D93254 [0,2,0,0,0,0|2,0,0]=4 313 B14R1.75 COC1=CC=CC(CC(=O)C(=O)O)=C1 C91154 [0,2,0,0,0,0|1,0,1]=4 314 B14R1.75 N#CC1=CC=CC(C[C@H](N)C(=O)O)=C1 F12294 [0,2,0,0,0,0|0,0,0]=2 315 B14R1.153 CC1=CC=CC(C[C@H](N)C(=O)O)=C1C A50319 [0,2,0,0,0,0|0,0,0]=2 316 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1F)C(=O)O Y12870 [0,2,0,0,0,0|0,0,0]=2 317 B14R1.542 NC[C@H](CC1=CC=CC(Br)=C1)C(=O)O 51862 [0,2,0,0,0,0|0,0,0]=2 318 B14R1.4257 CC1=CC(C)=CC(C[C@H](N)C(=O)O)=C1 Y14026 [0,2,0,0,0,0|0,0,0]=2 319 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O Y11811 [0,2,0,0,0,0|0,0,0]=2 320 B14R1.4257 N[C@@H](CC1=CC(F)=CC(F)=C1)C(=O)O 60256 [0,2,0,0,0,0|0,0,0]=2 321 B14R1.4404 C[C@](N)(CC1=CC=CC(F)=C1)C(=O)O F16354 [0,2,0,0,0,0|0,0,0]=2 322 B14R1.550 NC[C@H](CC1=C(Br)C=CC=C1)C(=O)O 51864 [0,2,0,0,0,0|0,0,0]=2 323 B14R1.5882 C[C@](N)(CC1=C(Br)C=CC=C1)C(=O)O F15998 [0,2,0,0,0,0|0,0,0]=2 324 B14R1.5971 CC1=CC=CC(C)=C1C[C@H](N)C(=O)O A50328 [0,2,0,0,0,0|0,0,0]=2 325 B14R1.5971 N[C@@H](CC1=C(F)C=CC=C1F)C(=O)O 60224 [0,2,0,0,0,0|0,0,0]=2 326 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O F10610 [0,2,0,0,0,0|0,0,0]=2 327 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O T72675 [0,2,0,0,0,0|0,0,0]=2 328 B14R1.4513 CN(C)[C@@H](CC1=CC=CC=C1)C(=O)O 93872 [0,2,0,0,0,0|0,0,0]=2 329 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [1,0,0,1,0,0|1,0,1]=4 330 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [1,0,0,1,0,0|0,0,1]=3 331 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [1,0,0,1,0,0|0,0,1]=3 332 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [1,0,0,1,0,0|0,0,1]=3 333 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [1,0,0,1,0,0|1,0,1]=4 334 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [1,0,0,1,0,0|1,0,1]=4 335 B12R2.27 O=CC1CC1C2=CC=NC=C2 30186 [1,0,0,1,0,0|2,0,0]=4 336 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [1,0,0,1,0,0|1,0,1]=4 337 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [1,0,0,1,0,0|1,0,1]=4 338 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [1,0,0,1,0,0|1,0,1]=4 339 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 30218 [1,0,0,1,0,0|0,0,1]=3 340 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 P12564 [1,0,0,1,0,0|0,0,1]=3 341 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 25158 [1,0,0,1,0,0|1,0,1]=4 342 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [1,0,0,1,0,0|1,0,1]=4 343 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [1,0,0,1,0,0|1,0,1]=4 344 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [1,0,0,1,0,0|1,0,1]=4 345 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [1,0,0,1,0,0|1,0,1]=4 346 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56487 [0,0,0,1,0,1|1,1,0]=4 347 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56489 [0,0,0,1,0,1|1,1,0]=4 348 B14R2.598 O=C1NC(=O)[C@@H](C2=CC=CC=C2)O1 D81737 [0,0,0,1,0,1|1,0,1]=4 349 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 24899 [0,0,0,1,0,1|0,0,2]=4 350 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 P10844 [0,0,0,1,0,1|2,0,0]=4 351 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66619 [0,0,0,1,0,1|0,0,0]=2 352 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66629 [0,0,0,1,0,1|0,0,0]=2 353 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50355 [0,0,0,1,0,1|1,0,0]=3 354 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 60392 [0,0,0,1,0,1|1,0,0]=3 355 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 34030 [0,0,0,1,0,1|1,0,0]=3 356 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 83820 [0,1,0,1,0,0|1,0,0]=3 357 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 H11100 [0,1,0,1,0,0|1,0,0]=3 358 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 W12440 [0,1,0,1,0,0|1,0,0]=3 359 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(O)C=C2 P15790 [0,1,0,1,0,0|1,0,0]=3 360 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=C2 33854 [0,1,0,1,0,0|0,0,2]=4 361 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 62484 [0,1,0,1,0,0|0,0,2]=4 362 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 82246 [0,1,0,1,0,0|0,0,2]=4 363 B14R2.4529 O=C(O)C1=NC2=C(C=C(O)C=C2)N1 P16499 [0,1,0,1,0,0|1,0,1]=4 364 B14R2.8239 CN1CC2=C(C=CC(Br)=C2)OC1=O D83433 [0,1,0,1,0,0|2,0,0]=4 365 B14R2.8239 C[C@H]1CC2=C(C=CC(Cl)=C2)NC1=O P16868 [0,1,0,1,0,0|2,0,0]=4 366 B14R2.8239 NC1=CC2=C(C=C(O)C=C2)OC1=O O10941 [0,1,0,1,0,0|0,0,2]=4 367 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 Y10077 [0,1,0,1,0,0|1,0,1]=4 368 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)C1 AC2381 [0,1,0,1,0,0|1,0,0]=3 369 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 20722 [0,1,0,1,0,0|0,0,0]=2 370 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 W19465 [0,1,0,1,0,0|0,0,0]=2 371 B14R2.8188 O=C1OC2=C(C=CC=C2)C(Br)C1Br 56107 [0,1,0,1,0,0|1,0,0]=3 372 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 Y10404 [0,1,0,1,0,0|1,0,0]=3 373 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 25669 [0,1,0,1,0,0|0,0,2]=4 374 B14R2.7969 CC1=CC=CC2=C1N=C(C(=O)O)N2 63672 [0,1,0,1,0,0|1,0,1]=4 375 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 74917 [0,1,0,1,0,0|0,0,2]=4 376 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 48732 [0,1,0,1,0,0|0,0,2]=4 377 B14R2.450 CN1C(C(=O)O)=NC2=C1C=CC=C2 C15271 [0,1,0,1,0,0|1,0,1]=4 378 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 D96951 [0,1,0,1,0,0|1,0,1]=4 379 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 Y10099 [0,1,0,1,0,0|1,0,0]=3 380 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(Cl)C=CC=C2 AC9714 [0,1,0,1,0,0|1,0,0]=3 381 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(F)C=CC=C2 AC9747 [0,1,0,1,0,0|1,0,0]=3 382 B14R2.788 O=C(O)C1(CC2=CC=CC=C2)CC1 P19120 [0,1,0,1,0,0|1,0,0]=3 383 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,0,0,0,1,0|1,0,0]=3 384 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,0,0,0,1,0|1,0,0]=3 385 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,0,0,0,1,0|1,0,0]=3 386 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,0,0,0,1,0|1,0,1]=4 387 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [1,0,0,0,1,0|1,0,1]=4 388 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [1,0,0,0,1,0|1,0,1]=4 389 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [1,0,0,0,1,0|1,0,1]=4 390 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [1,0,0,0,1,0|1,0,1]=4 391 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [1,0,0,0,1,0|1,0,1]=4 392 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [1,0,0,0,1,0|1,0,1]=4 393 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [1,0,0,0,1,0|1,0,1]=4 394 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [1,0,0,0,1,0|1,0,1]=4 395 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,0,0,0,1,0|1,0,0]=3 396 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [1,0,0,0,1,0|1,0,0]=3 397 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [1,0,0,0,1,0|1,0,0]=3 398 B10R1.66 O=C(O)CCC1=CN=CN1 28308 [1,0,0,0,1,0|2,0,0]=4 399 B10R1.66 O=C(O)CCC1=CN=CS1 97779 [1,0,0,0,1,0|2,0,0]=4 400 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [1,0,0,0,1,0|1,0,0]=3 401 B10R1.66 O=C(O)CCC1=CNN=C1 71939 [1,0,0,0,1,0|2,0,0]=4 402 B10R1.66 O=C(O)CCC1=NC=CN1 69195 [1,0,0,0,1,0|2,0,0]=4 403 B10R1.66 O=C(O)CCC1=NC=CN1 69196 [1,0,0,0,1,0|2,0,0]=4 404 B10R1.66 O=C(O)CCC1=NC=CS1 69864 [1,0,0,0,1,0|2,0,0]=4 405 B10R1.66 O=C(O)CCN1C=CC=N1 30854 [1,0,0,0,1,0|2,0,0]=4 406 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 AC1517 [0,0,0,0,2,0|1,0,0]=3 407 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [1,0,0,0,0,1|1,0,0]=3 408 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [1,0,0,0,0,1|1,0,0]=3 409 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [1,0,0,0,0,1|1,0,0]=3 410 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 62361 [0,0,0,0,0,2|0,0,0]=2 411 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O D86826 [0,0,0,0,0,2|0,0,0]=2 412 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O A50121 [0,0,0,0,0,2|0,0,0]=2 413 B14R1.6449 O=C(O)[C@@H](O)CCCC1=CC=CC=C1 W13072 [0,0,0,0,0,2|1,0,0]=3 414 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 85225 [0,0,0,0,0,2|1,0,0]=3